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Adipic acid, heptyl 2-phenylphenyl ester

View entire compound with spectra: 1 NMR

Adipic acid, heptyl 2-phenylphenyl ester
SpectraBase Compound ID JKSQKECNi93
InChI InChI=1S/C25H32O4/c1-2-3-4-5-13-20-28-24(26)18-11-12-19-25(27)29-23-17-10-9-16-22(23)21-14-7-6-8-15-21/h6-10,14-17H,2-5,11-13,18-20H2,1H3
InChIKey MYTQBRLVSYAOEI-UHFFFAOYSA-N
Mol Weight 396.5 g/mol
Molecular Formula C25H32O4
Exact Mass 396.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CJa65iFMShk
Name Adipic acid, heptyl 2-phenylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 396.230059506 u
Formula C25H32O4
InChI InChI=1S/C25H32O4/c1-2-3-4-5-13-20-28-24(26)18-11-12-19-25(27)29-23-17-10-9-16-22(23)21-14-7-6-8-15-21/h6-10,14-17H,2-5,11-13,18-20H2,1H3
InChIKey MYTQBRLVSYAOEI-UHFFFAOYSA-N
Molecular Weight 396.527 g/mol
SMILES C1(=CC=CC=C1)C1=C(C=CC=C1)OC(=O)CCCCC(OCCCCCCC)=O